Molecule

ID:100330

General Information
Structure
MolImage
Molecular Formula
C₄HBrF₈O
Molecular Mass
296.9413656
Exact Mass
295.90830241
Charge
0
InChI
InChI=1S/C4HBrF8O/c5-3(10,11)4(12,13)14-1(6)2(7,8)9/h1H
InChIKey
PQYYZHFOOPHVJM-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)OC(C(Br)(F)F)(F)F
Isomeric Smiles
O(C(F)(F)C(F)(Br)F)C(C(F)(F)F)F
Calculated Properties
JChem
Acid pKa
18.864622
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.636047
LogD (pH = 7.4)
3.636047
Log P
3.636047
Molar Refractivity
31.7701
Polarizability
12.343235
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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